CID 291785
2-hydroxy-3-methyl-5-(methylthio)-benzyl alcohol
Structural Information
- Molecular Formula
- C9H12O2S
- SMILES
- CC1=CC(=CC(=C1O)CO)SC
- InChI
- InChI=1S/C9H12O2S/c1-6-3-8(12-2)4-7(5-10)9(6)11/h3-4,10-11H,5H2,1-2H3
- InChIKey
- KXBVWXBKFNILQH-UHFFFAOYSA-N
- Compound name
- 2-(hydroxymethyl)-6-methyl-4-methylsulfanylphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.06308 | 136.1 |
[M+Na]+ | 207.04502 | 145.3 |
[M-H]- | 183.04852 | 138.0 |
[M+NH4]+ | 202.08962 | 156.0 |
[M+K]+ | 223.01896 | 141.6 |
[M+H-H2O]+ | 167.05306 | 131.3 |
[M+HCOO]- | 229.05400 | 152.7 |
[M+CH3COO]- | 243.06965 | 177.4 |
[M+Na-2H]- | 205.03047 | 138.1 |
[M]+ | 184.05525 | 138.4 |
[M]- | 184.05635 | 138.4 |
Literature stripe
No literature data available for this compound.